N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide

C24H29N3O3S — CID 29070132

IUPACN-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)ccc3C)nc2c1
InChIInChI=1S/C24H29N3O3S/c1-17-5-6-18(2)20(15-17)23(28)27(10-4-9-26-11-13-30-14-12-26)24-25-21-16-19(29-3)7-8-22(21)31-24/h5-8,15-16H,4,9-14H2,1-3H3
InChIKeyRGZRCYMRMRFFGP-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.29
Rot. Bonds7

About N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide

N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 29070132) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound NameN-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID29070132
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)ccc3C)nc2c1
InChIInChI=1S/C24H29N3O3S/c1-17-5-6-18(2)20(15-17)23(28)27(10-4-9-26-11-13-30-14-12-26)24-25-21-16-19(29-3)7-8-22(21)31-24/h5-8,15-16H,4,9-14H2,1-3H3
InChIKeyRGZRCYMRMRFFGP-UHFFFAOYSA-N
XLogP4.29
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 29070199
N-(5-methoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 29070020
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615588
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide
CID 29070116
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-propan-2-yloxybenzamide
CID 29070107
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 16955820
2-(2,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride
CID 44935397
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 121046548
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44899683
2-(4-ethoxyphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30715447
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride
CID 44933142
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 29070177

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide (CID 29070132) is N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)ccc3C)nc2c1.
What is the InChIKey of N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is RGZRCYMRMRFFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-17-5-6-18(2)20(15-17)23(28)27(10-4-9-26-11-13-30-14-12-26)24-25-21-16-19(29-3)7-8-22(21)31-24/h5-8,15-16H,4,9-14H2,1-3H3.
What are the key properties of N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 439.58 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 29070132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).